[5-(6-azanyl-8-phenethylsulfanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate

Systemtic Name: [5-(6-azanyl-8-phenethylsulfanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate Openeye Name: [5-(6-amino-8-phenethylsulfanyl-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate CAS Name: [5-[6-amino-8-(phenethylthio)-9-purinyl]-3,4-dihydroxy-2-oxolanyl]methyl dihydrogen phosphate IUPAC Name: [5-(6-amino-8-phenethylsulfanylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate Traditional Name: [5-[6-amino-8-(phenethylthio)purin-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate Formula: C18H22N5O7PS MolecularWeight: 483.435341

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCSC2=NC3=C(N2C4C(C(C(O4)COP(=O)(O)O)O)O)N=CN=C3N

Isomeric SMILES

C1=CC=C(C=C1)CCSC2=NC3=C(N2C4C(C(C(O4)COP(=O)(O)O)O)O)N=CN=C3N

InChI

InChI=1S/C18H22N5O7PS/c19-15-12-16(21-9-20-15)23(18(22-12)32-7-6-10-4-2-1-3-5-10)17-14(25)13(24)11(30-17)8-29-31(26,27)28/h1-5,9,11,13-14,17,24-25H,6-8H2,(H2,19,20,21)(H2,26,27,28)